Analytical figures of merit: from univariate to multiway calibration

AC Olivieri - Chemical reviews, 2014 - ACS Publications
Figures of merit are numerical parameters that help to characterize the performance of a
device or a system relative to alternative ones. In engineering, they are often defined for …

Chemometrics in spectroscopy. Part 1. Classical chemometrics

P Geladi - Spectrochimica Acta Part B: Atomic Spectroscopy, 2003 - Elsevier
An overview is given of chemometrics as it can be applied to spectroscopic and other
multivariate data. Major chemometrics and data analysis techniques are described. An …

[BOOK][B] Multi-way analysis: applications in the chemical sciences

AK Smilde, R Bro, P Geladi - 2005 - books.google.com
This book is an introduction to the field of multi-way analysis for chemists and
chemometricians. Its emphasis is on the ideas behind the method and its pratical …

Uncertainty estimation and figures of merit for multivariate calibration (IUPAC Technical Report)

AC Olivieri, NM Faber, J Ferré, R Boqué… - Pure and Applied …, 2006 - degruyter.com
This paper gives an introduction to multivariate calibration from a chemometrics perspective
and reviews the various proposals to generalize the well-established univariate …

Uncover the path from PCR to PLS via elastic component regression

HD Li, YZ Liang, QS Xu - Chemometrics and Intelligent Laboratory Systems, 2010 - Elsevier
This contribution introduces Elastic Component Regression (ECR) as an explorative data
analysis method that utilizes a tuning parameter α∈[0, 1] to supervise the X-matrix …

Exploring field vegetation reflectance as an indicator of soil contamination in river floodplains

L Kooistra, EAL Salas, J Clevers, R Wehrens… - Environmental …, 2004 - Elsevier
This study investigated the relation between vegetation reflectance and elevated
concentrations of the metals Ni, Cd, Cu, Zn and Pb in river floodplain soils. High-resolution …

The potential of field spectroscopy for the assessment of sediment properties in river floodplains

L Kooistra, J Wanders, GF Epema, R Leuven… - Analytica Chimica …, 2003 - Elsevier
Investigations have shown that visible-near-infrared (VNIR) spectroscopy can accurately
determine soil properties under laboratory conditions. In situ assessment of soil properties is …

Pre-processing applied to instrumental data in analytical chemistry: A brief review of the methods and examples

B Dayananda, S Owen, A Kolobaric… - Critical Reviews in …, 2023 - Taylor & Francis
The field of analytical chemistry has been significantly advanced by the availability of state-
of-the-art instrumentation, allowing for the development of novel applications in this field …

Robustness of models developed by multivariate calibration. Part II: The influence of pre-processing methods

M Zeaiter, JM Roger, V Bellon-Maurel - TrAC trends in analytical chemistry, 2005 - Elsevier
Infrared (IR) spectroscopic techniques combined with multivariate calibration (MVC)
methods are promising for on-line monitoring. In a previous article [M. Zeaiter, M. Roger, V …

Robust modelling of soil diffuse reflectance spectra by “bagging-partial least squares regression”

RAV Rossel - Journal of Near Infrared Spectroscopy, 2007 - journals.sagepub.com
Visible (vis), near infrared (NIR) and mid infrared (mid-IR) diffuse reflectance spectroscopy
(DRS) coupled with partial least squares regression (PLSR) are increasingly being used in …